2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid
TL;DR: 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid (CAS 7475-17-4) is a chemical compound with molecular formula C13H19NO4S2 and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylsulfonylamino)-4-ethylsulfanylbutanoic acid
Also Known As: 2-(benzylsulfonylamino)-4-ethylsulfanylbutanoic acid, S-Ethyl-N-(phenylmethanesulfonyl)homocysteine, Butyric acid,4-(ethylthio)-2-(a-toluenesulfonamido)-,dl-(8ci)
| Molecular Formula | C13H19NO4S2 |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 317.07556 |
| Heavy Atoms | 20 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 7475-17-4 |
|---|---|
| SMILES | CCSCCC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1 |
| InChIKey | KRDDESRSBIWBHU-UHFFFAOYSA-N |
Product Overview
2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid (CAS 7475-17-4), with molecular formula C13H19NO4S2 and molecular weight 317.08 g/mol. IUPAC: 2-(benzylsulfonylamino)-4-ethylsulfanylbutanoic acid.
Chemical Property Profile of 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid
Property Insights of 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid. Following Lipinski's Rule of Five, 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid?
The CAS number of 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid is 7475-17-4.
What is the molecular formula of 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid?
The molecular formula of 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid is C13H19NO4S2.
What is the molecular weight of 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid?
The molecular weight of 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid is 317.08 g/mol.
Where can I buy 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid?
You can request a quote for 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfonylamino)-4-ethylsulfanylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.